ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid

C17H24F3N3O4 — CID 118742997

IUPACethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CN(CC2CC2)Cc2ncn(CC)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2.C2HF3O2/c1-3-18-10-16-13-9-17(7-11-5-6-11)8-12(14(13)18)15(19)20-4-2;3-2(4,5)1(6)7/h10-12H,3-9H2,1-2H3;(H,6,7)
InChIKeyILWGVCFXZXEQIF-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.41
Rot. Bonds5

About ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid

ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 118742997) has the molecular formula C17H24F3N3O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID118742997
Molecular FormulaC17H24F3N3O4
Molecular Weight391.39 g/mol
Exact Mass391.17
IUPAC Nameethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CN(CC2CC2)Cc2ncn(CC)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2.C2HF3O2/c1-3-18-10-16-13-9-17(7-11-5-6-11)8-12(14(13)18)15(19)20-4-2;3-2(4,5)1(6)7/h10-12H,3-9H2,1-2H3;(H,6,7)
InChIKeyILWGVCFXZXEQIF-UHFFFAOYSA-N
XLogP2.41
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-cyclopropylsulfonyl-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739093
ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739098
ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739100
ethyl 1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739103
ethyl 1-ethyl-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118739104
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118742998
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 118743203
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 118743205
cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745004
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745787
2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746018

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid (CID 118742997) is ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)C1CN(CC2CC2)Cc2ncn(CC)c21.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is ILWGVCFXZXEQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C2HF3O2/c1-3-18-10-16-13-9-17(7-11-5-6-11)8-12(14(13)18)15(19)20-4-2;3-2(4,5)1(6)7/h10-12H,3-9H2,1-2H3;(H,6,7).
What are the key properties of ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid?
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 391.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).